Chem
J-GLOBAL ID:200907049101864455   Nikkaji number:J1.266.743D

(2S)-1-[3-(4-Amidinophenyl)-2-isoxazoline-5-ylacetyl]piperidine-2-carboxylic acid

(2S)-1-[3-(4-アミジノフェニル)-2-イソオキサゾリン-5-イルアセチル]ピペリジン-2-カルボン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C18H22N4O4
Molecular formula furigana: C18-H22-N4-O4
Molecular weight: 358.398
InChI: InChI=1S/C18H22N4O4/c19-17(20)12-6-4-11(5-7-12)14-9-13(26-21-14)10-16(23)22-8-2-1-3-15(22)18(24)25/h4-7,13,15H,1-3,8-10H2,(H3,19,20)(H,24,25)/t13?,15-/m0/s1
InChI key: QPWUKPDRRCNLGS-WUJWULDRSA-N
SMILES: NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N2CCCC[C@H]2C(=O)O)C1
Systematic name  (3):
  • (2S)-1-[3-(4-アミジノフェニル)-2-イソオキサゾリン-5-イルアセチル]ピペリジン-2-カルボン酸
  • (2S)-1-{2-[3-(4-カルバムイミドイルフェニル)-4,5-ジヒドロ-1,2-オキサゾール-5-イル]アセチル}ピペリジン-2-カルボン酸
  • (2S)-1-{2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl}piperidine-2-carboxylic acid
Other name (1):
  • (2S)-1-[3-(4-Amidinophenyl)-2-isoxazoline-5-ylacetyl]piperidine-2-carboxylic acid
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